CHEBI:62755 - α-bergamotene

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ChEBI Name α-bergamotene
ChEBI ID CHEBI:62755
ChEBI ASCII Name alpha-bergamotene
Definition A sesquiterpene consisting of a bicyclo[3.1.1]hept-2-ene skeleton substituted at positions 2 and 6 by methyl groups and at position 6 by a 4-methylpent-3-en-1-yl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H24
Net Charge 0
Average Mass 204.35110
Monoisotopic Mass 204.18780
InChI InChI=1S/C15H24/c1-11(2)6-5-9-15(4)13-8-7-12(3)14(15)10-13/h6-7,13-14H,5,8-10H2,1-4H3
InChIKey YMBFCQPIMVLNIU-UHFFFAOYSA-N
SMILES CC(C)=CCCC1(C)C2CC=C(C)C1C2
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
volatile oil component
Any plant metabolite that is found naturally as a component of a volatile oil.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing α-bergamotene (CHEBI:62755) has role plant metabolite (CHEBI:76924)
α-bergamotene (CHEBI:62755) has role volatile oil component (CHEBI:27311)
α-bergamotene (CHEBI:62755) is a bridged compound (CHEBI:35990)
α-bergamotene (CHEBI:62755) is a polycyclic olefin (CHEBI:35714)
α-bergamotene (CHEBI:62755) is a sesquiterpene (CHEBI:35189)
Incoming α-bergamotenoic acid (CHEBI:131505) has functional parent α-bergamotene (CHEBI:62755)
(−)-endo-α-bergamotene (CHEBI:61679) is a α-bergamotene (CHEBI:62755)
(−)-exo-α-bergamotene (CHEBI:62756) is a α-bergamotene (CHEBI:62755)
IUPAC Name
2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene
Manual Xrefs Databases
C00048311 KNApSAcK
C17088 KEGG COMPOUND
HMDB0036678 HMDB
View more database links
Registry Number Type Source
17699-05-7 CAS Registry Number KEGG COMPOUND
Citations Waiting for Citations Types Sources
12562082 PubMed citation Europe PMC
22474938 PubMed citation Europe PMC
23786100 PubMed citation Europe PMC
Last Modified
15 November 2016